The VLife Engine provided features for the next level molecular modeling functions in the form of force field calculations and conformation generation. It provides multiple force field options to enable optimization of small molecules as well as macro molecules. Conformer generation options with VLife Engine help to explore exhaustivels the conformational space of molecules, which is an essential feature for later stage design methods such as 3D QSAR.

Key features

Energy Minimization
VLife Engine allows energy calculation and minimization of geometry of molecules using various force fields. Interface to a leading semi-empirical method of optimization allows you to expand the optimization options available. The choice of force fields available and flexibilities provided such as optimization of a single as well as a batch of molecules make VLife Engine extremely user friendly for optimization of small as well as macromolecules.

Conformation Analysis
VLife Engine enables expanded scanning of the conformer space through use of a systematic and Monte-Carlo method. Diversity of conformers generated is ensured by features like selection of rotatable bonds and chirality. A convenient worksheet facility provides easy means to further analyze the conformers.

Alignment of antibacterial compounds using template based method

Advantages of VLife products

Peer reviewed algorithmsAlgorithms in VLifeMDS have wide acceptance in scientific community. These algorithms are either published or are patent pending. There are multiple case studies of research conducted with VLifeMDS.

Ease of plug-in/ plug-outAlthough an integrated platform, VLifeMDS has a modular architecture. Customers can buy the whole suite in one-go or buy incrementally as per the evolving needs of their research projects. Incremental module additions seamlessly integrate with rest of the modules to provide a consistent experience.

Ease of customization & integrationVLifeMDS is developed fully in-house with complete ownership of every line of code. This provides unprecedented flexibility to add-on/ customize the product to suit customer specifications as well as integrating it to customers' existing discovery workbench.

Case studies: Application of VLife products

Pharmacophore identification and lead optimization for novel antifungals View